Information card for entry 1542891

Structure parameters

• Formula: C23 H18 N2 O
• Calculated formula: C23 H18 N2 O
• SMILES: c1ccccc1C(=O)c1n(c(cn1)c1ccccc1)c1ccc(cc1)C
• Title of publication: Dual Roles of Methyl Ketones in Radziszewski-Type Reaction: Formal [2 + 1 + 1 + 1] Synthesis of 1,2,5-Trisubstituted Imidazoles.
• Authors of publication: Zhang, Jingjing; Gao, Qinghe; Wu, Xia; Geng, Xiao; Wu, Yan-Dong; Wu, Anxin
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 7
• Pages of publication: 1686 - 1689
• a: 9.556 ± 0.009 Å
• b: 10.061 ± 0.01 Å
• c: 10.958 ± 0.01 Å
• α: 73.61 ± 0.02°
• β: 65.525 ± 0.016°
• γ: 68.71 ± 0.02°
• Cell volume: 882.6 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0436
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.1274
• Weighted residual factors for all reflections included in the refinement: 0.1424
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No